2-hydroxyethyl indazol-1-ylmethanesulfonate

C10H12N2O4S — CID 174573256

IUPAC2-hydroxyethyl indazol-1-ylmethanesulfonate
SMILESO=S(=O)(Cn1ncc2ccccc21)OCCO
InChIInChI=1S/C10H12N2O4S/c13-5-6-16-17(14,15)8-12-10-4-2-1-3-9(10)7-11-12/h1-4,7,13H,5-6,8H2
InChIKeyHWLRFTRMBUKGPL-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.33
Rot. Bonds5

About 2-hydroxyethyl indazol-1-ylmethanesulfonate

2-hydroxyethyl indazol-1-ylmethanesulfonate (PubChem CID 174573256) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-hydroxyethyl indazol-1-ylmethanesulfonate.

Molecular Properties

Compound Name2-hydroxyethyl indazol-1-ylmethanesulfonate
PubChem CID174573256
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-hydroxyethyl indazol-1-ylmethanesulfonate
SMILESO=S(=O)(Cn1ncc2ccccc21)OCCO
InChIInChI=1S/C10H12N2O4S/c13-5-6-16-17(14,15)8-12-10-4-2-1-3-9(10)7-11-12/h1-4,7,13H,5-6,8H2
InChIKeyHWLRFTRMBUKGPL-UHFFFAOYSA-N
XLogP0.33
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl indazol-1-ylmethanesulfonate?
The IUPAC name of 2-hydroxyethyl indazol-1-ylmethanesulfonate (CID 174573256) is 2-hydroxyethyl indazol-1-ylmethanesulfonate.
What is the SMILES notation for 2-hydroxyethyl indazol-1-ylmethanesulfonate?
The canonical SMILES for 2-hydroxyethyl indazol-1-ylmethanesulfonate is O=S(=O)(Cn1ncc2ccccc21)OCCO.
What is the InChIKey of 2-hydroxyethyl indazol-1-ylmethanesulfonate?
The InChIKey is HWLRFTRMBUKGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-5-6-16-17(14,15)8-12-10-4-2-1-3-9(10)7-11-12/h1-4,7,13H,5-6,8H2.
What are the key properties of 2-hydroxyethyl indazol-1-ylmethanesulfonate?
2-hydroxyethyl indazol-1-ylmethanesulfonate has a molecular weight of 256.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl indazol-1-ylmethanesulfonate is sourced from PubChem (CID 174573256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).